
 CHEMBL538753

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.3505   -0.1302    0.0923 C   0  0  0  0  0
    2.7993    0.0421   -0.0613 N   0  0  0  0  0
    3.2690   -0.7500   -1.2193 C   0  0  0  0  0
    4.6397   -1.3593   -1.0213 C   0  0  0  0  0
    4.7816   -2.5793   -0.3422 C   0  0  0  0  0
    6.0412   -3.1596   -0.1779 C   0  0  0  0  0
    7.1752   -2.5184   -0.6720 C   0  0  0  0  0
    7.0498   -1.3006   -1.3359 C   0  0  0  0  0
    5.7889   -0.7303   -1.5194 C   0  0  0  0  0
    3.0965    1.4792   -0.2238 C   0  0  0  0  0
    4.4748    1.8305    0.1912 C   0  0  0  0  0
    5.3662    2.7826   -0.2454 C   0  0  0  0  0
    6.5238    2.7422    0.4884 N   0  0  0  0  0
    6.3688    1.7694    1.3730 C   0  0  0  0  0
    5.1272    1.1991    1.2185 N   0  0  0  0  0
    7.3487    1.3400    2.3734 C   0  0  0  0  0
    8.5678    2.0257    2.4867 C   0  0  0  0  0
    9.5258    1.6376    3.4291 C   0  0  0  0  0
    9.2790    0.5551    4.2720 C   0  0  0  0  0
    8.0719   -0.1343    4.1742 C   0  0  0  0  0
    7.1205    0.2608    3.2355 C   0  0  0  0  0
    5.9663   -0.4239    3.1850 F   0  0  0  0  0
    0.9853    0.4200    0.9672 H   0  0  0  0  0
    1.1040   -1.1826    0.2726 H   0  0  0  0  0
    0.7977    0.2131   -0.7897 H   0  0  0  0  0
    3.2372   -0.1752   -2.1546 H   0  0  0  0  0
    2.5897   -1.5961   -1.4014 H   0  0  0  0  0
    3.9063   -3.0878    0.0543 H   0  0  0  0  0
    6.1374   -4.1113    0.3381 H   0  0  0  0  0
    8.1565   -2.9645   -0.5371 H   0  0  0  0  0
    7.9329   -0.7882   -1.7082 H   0  0  0  0  0
    5.7127    0.2224   -2.0382 H   0  0  0  0  0
    2.4344    2.0706    0.4244 H   0  0  0  0  0
    2.8962    1.8204   -1.2476 H   0  0  0  0  0
    5.2380    3.4971   -1.0479 H   0  0  0  0  0
    4.7712    0.4055    1.7355 H   0  0  0  0  0
    8.7734    2.8731    1.8336 H   0  0  0  0  0
   10.4640    2.1828    3.5006 H   0  0  0  0  0
   10.0249    0.2511    5.0017 H   0  0  0  0  0
    7.8633   -0.9779    4.8255 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
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 21 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538753

>  <PubChem CID>
10379759

>  <Formula>
C18H18FN3

>  <Molecular Weight>
295.361000

>  <IUPAC Name>
N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=CC=C3F

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=CC=C3F

>  <InChI Std. ID>
InChI=1S/C18H18FN3/c1-22(12-14-7-3-2-4-8-14)13-15-11-20-18(21-15)16-9-5-6-10-17(16)19/h2-11H,12-13H2,1H3,(H,20,21)

>  <InChI Key>
NWACMLQTMIWMLO-UHFFFAOYSA-N

